SCHEMBL20966567

SCHEMBL20966567

CCCCCCCC(CC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
MBOAT4 Q96T53 1/20 0.42
CETP P11597 3/20 0.41
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIRT2 Q8IXJ6 5/20 0.40
SIRT1 Q96EB6 4/20 0.40
SIRT3 Q9NTG7 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22181023 1.00 ALDH1A1 (0.44) ALDH1A1MEN1HPGDKMT2AMBOAT4
SCHEMBL20966572 0.96 ALDH1A1 (0.41) ALDH1A1MEN1HPGDKMT2AMBOAT4
SCHEMBL18196801 0.91 ALDH1A1 (0.42) ALDH1A1MEN1HPGDKMT2AMAPK1
SCHEMBL9069103 0.84 ZDHHC2 (0.39) ALDH1A1L3MBTL1SIRT2
SCHEMBL16245288 0.81 SLC15A1 (0.44) ALDH1A1MAPK1L3MBTL1
SCHEMBL31674546 0.80 ALDH1A1 (0.50) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL16614401 0.80 ALDH1A1 (0.39) ALDH1A1HPGDMBOAT4MAPK1L3MBTL1
SCHEMBL16614382 0.80 ALDH1A1 (0.39) ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL3648854 0.80 ATM (0.40) MBOAT4
SCHEMBL22406078 0.79 PLA2G10 (0.38) CETPL3MBTL1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227489-A1 GLYCOLIPOPEPTIDE BIOSURFACTANTS CRODA INTERNATIONAL PLC (GB) 2023-07-20 US disclosed
EP-3440179-B1 GLYCOLIPOPEPTIDE BIOSURFACTANTS CRODA INT PLC (GB) 2020-06-03 EP disclosed
US-20190127411-A1 GLYCOLIPOPEPTIDE BIOSURFACTANTS CRODA INTERNATIONAL PLC (GB) 2019-05-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190127411-A1 GLYCOLIPOPEPTIDE BIOSURFACTANTS LYPLAL1, LNPEP, PHOSPHO1 ALDH1A1 4821/4885MEN1 3600/4885HPGD 3188/4885
US-20230227489-A1 GLYCOLIPOPEPTIDE BIOSURFACTANTS LYPLAL1, LNPEP, PHOSPHO1 ALDH1A1 4821/4885MEN1 3600/4885HPGD 3188/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.